N-(9,9-dimethylfluoren-2-yl)-16,16-dimethyl-N,12-bis(4-phenylphenyl)-12-azahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(24),2(11),3,5,7,9,13,15(23),17,19,21-undecaen-9-amine

C64H48N2 — CID 137385898

IUPACN-(9,9-dimethylfluoren-2-yl)-16,16-dimethyl-N,12-bis(4-phenylphenyl)-12-azahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(24),2(11),3,5,7,9,13,15(23),17,19,21-undecaen-9-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3cc4c(c5ccccc35)c3cc5c(cc3n4-c3ccc(-c4ccccc4)cc3)C(C)(C)c3ccccc3-5)cc21
InChIInChI=1S/C64H48N2/c1-63(2)55-25-15-13-21-48(55)50-36-35-47(37-57(50)63)65(45-31-27-43(28-32-45)41-17-7-5-8-18-41)60-40-61-62(52-24-12-11-23-51(52)60)54-38-53-49-22-14-16-26-56(49)64(3,4)58(53)39-59(54)66(61)46-33-29-44(30-34-46)42-19-9-6-10-20-42/h5-40H,1-4H3
InChIKeyKQPGLXPVLKAISA-UHFFFAOYSA-N
MW845.10 g/mol
LogP17.35
Rot. Bonds6

About N-(9,9-dimethylfluoren-2-yl)-16,16-dimethyl-N,12-bis(4-phenylphenyl)-12-azahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(24),2(11),3,5,7,9,13,15(23),17,19,21-undecaen-9-amine

N-(9,9-dimethylfluoren-2-yl)-16,16-dimethyl-N,12-bis(4-phenylphenyl)-12-azahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(24),2(11),3,5,7,9,13,15(23),17,19,21-undecaen-9-amine (PubChem CID 137385898) has the molecular formula C64H48N2 and a molecular weight of 845.10 g/mol. Its IUPAC name is N-(9,9-dimethylfluoren-2-yl)-16,16-dimethyl-N,12-bis(4-phenylphenyl)-12-azahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(24),2(11),3,5,7,9,13,15(23),17,19,21-undecaen-9-amine.

Molecular Properties

Compound NameN-(9,9-dimethylfluoren-2-yl)-16,16-dimethyl-N,12-bis(4-phenylphenyl)-12-azahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(24),2(11),3,5,7,9,13,15(23),17,19,21-undecaen-9-amine
PubChem CID137385898
Molecular FormulaC64H48N2
Molecular Weight845.10 g/mol
Exact Mass844.38
IUPAC NameN-(9,9-dimethylfluoren-2-yl)-16,16-dimethyl-N,12-bis(4-phenylphenyl)-12-azahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(24),2(11),3,5,7,9,13,15(23),17,19,21-undecaen-9-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3cc4c(c5ccccc35)c3cc5c(cc3n4-c3ccc(-c4ccccc4)cc3)C(C)(C)c3ccccc3-5)cc21
InChIInChI=1S/C64H48N2/c1-63(2)55-25-15-13-21-48(55)50-36-35-47(37-57(50)63)65(45-31-27-43(28-32-45)41-17-7-5-8-18-41)60-40-61-62(52-24-12-11-23-51(52)60)54-38-53-49-22-14-16-26-56(49)64(3,4)58(53)39-59(54)66(61)46-33-29-44(30-34-46)42-19-9-6-10-20-42/h5-40H,1-4H3
InChIKeyKQPGLXPVLKAISA-UHFFFAOYSA-N
XLogP17.35
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms66
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500845.10
LogP ≤ 517.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze N-(9,9-dimethylfluoren-2-yl)-16,16-dimethyl-N,12-bis(4-phenylphenyl)-12-azahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(24),2(11),3,5,7,9,13,15(23),17,19,21-undecaen-9-amine with MolForge

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Related Compounds

N-(9,9-dimethylfluoren-2-yl)-16,16-dimethyl-12-phenyl-N-(4-phenylphenyl)-12-azahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(24),2(11),3,5,7,9,13,15(23),17,19,21-undecaen-9-amine
CID 137385903
16,16-dimethyl-N-(3-phenylphenyl)-N,12-bis(4-phenylphenyl)-12-azahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(24),2(11),3,5,7,9,13,15(23),17,19,21-undecaen-9-amine
CID 155791302
N-(9,9-dimethylfluoren-2-yl)-16,16-dimethyl-N,12-diphenyl-12-azahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(24),2(11),3,5,7,9,13,15(23),17,19,21-undecaen-9-amine
CID 137385905
16,16-dimethyl-N,12-diphenyl-N-[4-(4-phenylphenyl)phenyl]-12-azahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(24),2(11),3,5,7,9,13,15(23),17,19,21-undecaen-9-amine;prop-1-ene
CID 142509983
N-(9,9-dimethylfluoren-2-yl)-7,7-dimethyl-5-phenyl-N-(4-phenylphenyl)indeno[2,1-b]carbazol-2-amine
CID 66798022
9-N,15-N-bis(9,9-dimethylfluoren-2-yl)-12-phenyl-9-N,15-N-bis(4-phenylphenyl)-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-9,15-diamine;9-N,15-N-bis(4-naphthalen-1-ylphenyl)-9-N,15-N,12-triphenyl-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-9,15-diamine;9-N,15-N-dinaphthalen-1-yl-12-phenyl-9-N,15-N-bis(4-phenylphenyl)-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-9,15-diamine;9-N,15-N-dinaphthalen-1-yl-9-N,15-N,12-triphenyl-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-9,15-diamine
CID 158812086
N-[4-[4-(23,23-dimethyl-19-azaoctacyclo[16.14.0.02,15.03,8.09,14.020,32.022,30.024,29]dotriaconta-1(18),2(15),3,5,7,9,11,13,16,20,22(30),24,26,28,31-pentadecaen-19-yl)phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 122527923
N-[4-(28,28-dimethyl-32-azaoctacyclo[16.14.0.03,16.04,9.010,15.019,31.021,29.022,27]dotriaconta-1(18),2,4,6,8,10,12,14,16,19,21(29),22,24,26,30-pentadecaen-32-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 122527931
N-[3-[3-[4-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)phenyl]phenyl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 90185797
N-(4-benzo[b]carbazol-5-ylphenyl)-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine;N-[4-(4-benzo[b]carbazol-5-ylphenyl)phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine;4-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)-N-phenyl-N-(4-phenylphenyl)naphthalen-1-amine
CID 159554893
7,7-dimethyl-5-phenyl-N,N-bis(4-phenylphenyl)indeno[2,1-b]carbazol-9-amine
CID 66805021
N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-[4-[9-(4-phenylphenyl)carbazol-2-yl]phenyl]fluoren-2-amine
CID 177287712

Frequently Asked Questions

What is the IUPAC name of N-(9,9-dimethylfluoren-2-yl)-16,16-dimethyl-N,12-bis(4-phenylphenyl)-12-azahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(24),2(11),3,5,7,9,13,15(23),17,19,21-undecaen-9-amine?
The IUPAC name of N-(9,9-dimethylfluoren-2-yl)-16,16-dimethyl-N,12-bis(4-phenylphenyl)-12-azahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(24),2(11),3,5,7,9,13,15(23),17,19,21-undecaen-9-amine (CID 137385898) is N-(9,9-dimethylfluoren-2-yl)-16,16-dimethyl-N,12-bis(4-phenylphenyl)-12-azahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(24),2(11),3,5,7,9,13,15(23),17,19,21-undecaen-9-amine.
What is the SMILES notation for N-(9,9-dimethylfluoren-2-yl)-16,16-dimethyl-N,12-bis(4-phenylphenyl)-12-azahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(24),2(11),3,5,7,9,13,15(23),17,19,21-undecaen-9-amine?
The canonical SMILES for N-(9,9-dimethylfluoren-2-yl)-16,16-dimethyl-N,12-bis(4-phenylphenyl)-12-azahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(24),2(11),3,5,7,9,13,15(23),17,19,21-undecaen-9-amine is CC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3cc4c(c5ccccc35)c3cc5c(cc3n4-c3ccc(-c4ccccc4)cc3)C(C)(C)c3ccccc3-5)cc21.
What is the InChIKey of N-(9,9-dimethylfluoren-2-yl)-16,16-dimethyl-N,12-bis(4-phenylphenyl)-12-azahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(24),2(11),3,5,7,9,13,15(23),17,19,21-undecaen-9-amine?
The InChIKey is KQPGLXPVLKAISA-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H48N2/c1-63(2)55-25-15-13-21-48(55)50-36-35-47(37-57(50)63)65(45-31-27-43(28-32-45)41-17-7-5-8-18-41)60-40-61-62(52-24-12-11-23-51(52)60)54-38-53-49-22-14-16-26-56(49)64(3,4)58(53)39-59(54)66(61)46-33-29-44(30-34-46)42-19-9-6-10-20-42/h5-40H,1-4H3.
What are the key properties of N-(9,9-dimethylfluoren-2-yl)-16,16-dimethyl-N,12-bis(4-phenylphenyl)-12-azahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(24),2(11),3,5,7,9,13,15(23),17,19,21-undecaen-9-amine?
N-(9,9-dimethylfluoren-2-yl)-16,16-dimethyl-N,12-bis(4-phenylphenyl)-12-azahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(24),2(11),3,5,7,9,13,15(23),17,19,21-undecaen-9-amine has a molecular weight of 845.10 g/mol, XLogP of 17.35, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(9,9-dimethylfluoren-2-yl)-16,16-dimethyl-N,12-bis(4-phenylphenyl)-12-azahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(24),2(11),3,5,7,9,13,15(23),17,19,21-undecaen-9-amine is sourced from PubChem (CID 137385898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).